N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide

C12H7BrF2N2O — CID 1244333

IUPACN-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cccnc1
InChIInChI=1S/C12H7BrF2N2O/c13-9-4-8(14)5-10(15)11(9)17-12(18)7-2-1-3-16-6-7/h1-6H,(H,17,18)
InChIKeyNJOKLWKXDKSILB-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide

N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide (PubChem CID 1244333) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide
PubChem CID1244333
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC NameN-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cccnc1
InChIInChI=1S/C12H7BrF2N2O/c13-9-4-8(14)5-10(15)11(9)17-12(18)7-2-1-3-16-6-7/h1-6H,(H,17,18)
InChIKeyNJOKLWKXDKSILB-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide (CID 1244333) is N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1c(F)cc(F)cc1Br)c1cccnc1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is NJOKLWKXDKSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-9-4-8(14)5-10(15)11(9)17-12(18)7-2-1-3-16-6-7/h1-6H,(H,17,18).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide?
N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 313.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1244333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).